Water → HCID 178423820, compound

HRID 2316815Notes

Reaction equation

HRID 2316815 reaction equation
[CH3:19][c:20]1[cH:21][cH:22][c:23]([C:27]2=[CH:32][CH2:31][NH:30][CH2:29][CH2:28]2)[n:24][c:25]1[CH3:26].[CH3:42][C:43]#[N:44].[Cl+3:36]([O-:37])([O-:38])([O-:39])[O-:40].[F:1][c:2]1[c:3]([C:9]2([CH2:13][n:14]3[n:15][cH:16][n:17][cH:18]3)[O:10][CH:11]2[CH3:12])[cH:4][cH:5][c:6]([F:8])[cH:7]1.[Li+:41].[OH2:33].[OH2:34].[OH2:35]>>[F:1][c:2]1[c:3]([C:9]([OH:10])([CH:11]([CH3:12])[N:30]2[CH2:29][CH2:28][C:27]([c:23]3[cH:22][cH:21][c:20]([CH3:19])[c:25]([CH3:26])[n:24]3)=[CH:32][CH2:31]2)[CH2:13][n:14]2[n:15][cH:16][n:17][cH:18]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1

Participants

7

Reactant 6

HCID 962Water3×HCID 6342AcetonitrileHCID 28486Lithium ionHCID 123351PerchlorateHCID 147064491-((2-(2,4-Difluorophenyl)-3-methyl-2-oxiranyl)methyl)-1H-1,2,4-triazoleHCID 579807215,6-Dimethyl-1',2',3',6'-tetrahydro-2,4'-bipyridine

Product 1

HCID 178423820HCID 178423820, compound

Sources & evidence

ORD record
ord-7879d6fe68e341e9b1faa10e5638a5a4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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